3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide

C15H20FNO2 — CID 111461498

IUPAC3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(C)C(O)CCNC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-11(2)14(18)9-10-17-15(19)8-5-12-3-6-13(16)7-4-12/h3-8,11,14,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyWTPRSEAWDHXWAM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.36
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide

3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide (PubChem CID 111461498) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide
PubChem CID111461498
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide
SMILESCC(C)C(O)CCNC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-11(2)14(18)9-10-17-15(19)8-5-12-3-6-13(16)7-4-12/h3-8,11,14,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyWTPRSEAWDHXWAM-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111460772
(E)-3-(4-fluorophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877112
(E)-3-(4-fluorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 771161
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-aminophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 115344348
(E)-3-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299970
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
3-[3-(4-fluorophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113763
2-[[3-(4-fluorophenyl)prop-2-enoylamino]methyl]butanoic acid
CID 77061171
(E)-N-[(2S)-2-cyanopropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 95619836
(E)-N-(2-tert-butylsulfonylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75407386

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide (CID 111461498) is 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide is CC(C)C(O)CCNC(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide?
The InChIKey is WTPRSEAWDHXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(2)14(18)9-10-17-15(19)8-5-12-3-6-13(16)7-4-12/h3-8,11,14,18H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide has a molecular weight of 265.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)prop-2-enamide is sourced from PubChem (CID 111461498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).